SCHEMBL11005545

SCHEMBL11005545

O=C(OCCOCCOCCO)C(S)S

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 6/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.31
SERPINE1 P05121 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6354445 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL57319 0.85
Ethylene Glycol SCHEMBL821381 0.85 TSHR (0.32) TSHR
SCHEMBL10796094 0.83 TSHR (0.41) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL8607254 0.83 MEN1 (0.46) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL8733484 0.83 ALDH1A1 (0.31) MEN1KMT2ATSHRALDH1A1TP53
Triethylene Glycol SCHEMBL11005553 0.81 MEN1 (0.55) MEN1KMT2ATSHRMAPK1ALDH1A1
Tetraethylene Glycol SCHEMBL28555228 0.81 MEN1 (0.55) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL28472707 0.79 MEN1 (0.52) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL31235682 0.78 MEN1 (0.46) MEN1KMT2ATSHRMAPK1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0130680-A2 Cure to elastomers composition LOCTITE CORPORATION (US) 1985-01-09 EP claimed
US-4439600-A Cure to elastomers compositions LOCTITE CORPORATION (US) 1984-03-27 US claimed
EP-0130680-A2 Cure to elastomers composition LOCTITE CORPORATION (US) 1985-01-09 EP disclosed
US-4439600-A Cure to elastomers compositions LOCTITE CORPORATION (US) 1984-03-27 US disclosed
US-3983057-A MERCAPTO REGULATORS HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-28 US disclosed